CID 6445975

P-1908

Structural Information

Molecular Formula
C14H15NO2S
SMILES
CC1(CSC(=N1)/C=C/C2=CC3=C(C=C2)OCO3)C
InChI
InChI=1S/C14H15NO2S/c1-14(2)8-18-13(15-14)6-4-10-3-5-11-12(7-10)17-9-16-11/h3-7H,8-9H2,1-2H3/b6-4+
InChIKey
FWTBITUKPSRGJV-GQCTYLIASA-N
Compound name
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4,4-dimethyl-5H-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.08234 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08962 157.0
[M+Na]+ 284.07156 167.3
[M-H]- 260.07506 165.4
[M+NH4]+ 279.11616 177.6
[M+K]+ 300.04550 165.7
[M+H-H2O]+ 244.07960 152.6
[M+HCOO]- 306.08054 173.2
[M+CH3COO]- 320.09619 170.6
[M+Na-2H]- 282.05701 159.2
[M]+ 261.08179 161.4
[M]- 261.08289 161.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe